Found 682 results

Search term: MF = 'C_{12}H_{8}F_{3}N_{3}'
ChemSpider 2D Image | 2-[1-Methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]benzonitrile | C12H8F3N3

2-[1-Methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]benzonitrile

  • Molecular FormulaC12H8F3N3
  • Average mass251.207 Da
  • Monoisotopic mass251.067032 Da
  • ChemSpider ID21469250

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

2-[1-Methyl-3-(trifluormethyl)-1H-pyrazol-5-yl]benzonitril [German] [ACD/IUPAC Name]
2-[1-Methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]benzonitrile [ACD/IUPAC Name]
2-[1-Méthyl-3-(trifluorométhyl)-1H-pyrazol-5-yl]benzonitrile [French] [ACD/IUPAC Name]
910037-17-1 [RN]
Benzonitrile, 2-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]- [ACD/Index Name]
[910037-17-1] [RN]
2-(1-Methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl)benzonitrile
2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzenecarbonitrile
2-[2-methyl-5-(trifluoromethyl)-3-pyrazolyl]benzonitrile
2-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]benzonitrile
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point: 372.8±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 62.0±3.0 kJ/mol
    Flash Point: 179.3±27.9 °C
    Index of Refraction: 1.547
    Molar Refractivity: 61.6±0.5 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 2.70
    ACD/LogD (pH 5.5): 2.57
    ACD/BCF (pH 5.5): 52.53
    ACD/KOC (pH 5.5): 593.02
    ACD/LogD (pH 7.4): 2.57
    ACD/BCF (pH 7.4): 52.53
    ACD/KOC (pH 7.4): 593.02
    Polar Surface Area: 42 Å2
    Polarizability: 24.4±0.5 10-24cm3
    Surface Tension: 36.3±7.0 dyne/cm
    Molar Volume: 194.3±7.0 cm3

    Click to predict properties on the Chemicalize site


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